smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCCC3)o2)C1=O ZINC000006083650 204164901 /nfs/dbraw/zinc/16/49/01/204164901.db2.gz JLCFNJIEZHVBIQ-VKAVYKQESA-N 0 2 393.443 3.635 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(Cl)cc2)C1=O ZINC000409209455 534146976 /nfs/dbraw/zinc/14/69/76/534146976.db2.gz BSKHELFIRRWEED-RIYZIHGNSA-N 0 2 375.211 3.968 40 10 GHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl ZINC000409389157 529191985 /nfs/dbraw/zinc/19/19/85/529191985.db2.gz ANCHMWRKBSNESF-XBUHWIKASA-N 0 2 399.834 3.579 40 10 GHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 ZINC000408911626 231129563 /nfs/dbraw/zinc/12/95/63/231129563.db2.gz AEAOOSLBSCNWSH-NYYWCZLTSA-N 0 2 395.173 3.505 40 10 GHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000408961699 231136000 /nfs/dbraw/zinc/13/60/00/231136000.db2.gz URTVOGZQGZPSPK-LDADJPATSA-N 0 2 395.846 3.607 40 10 GHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000409239601 231185394 /nfs/dbraw/zinc/18/53/94/231185394.db2.gz HPKUCUUSVKDSKH-XNTDXEJSSA-N 0 2 393.830 3.807 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccn1-c1ccc(O)cc1 ZINC000033928556 206099993 /nfs/dbraw/zinc/09/99/93/206099993.db2.gz ZKIVMTMFDDZJNS-LDADJPATSA-N 0 2 391.358 3.829 40 10 GHCBLN CCN(CC)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000255190220 206150397 /nfs/dbraw/zinc/15/03/97/206150397.db2.gz VSGSFMSJZDFDJQ-UHFFFAOYSA-N 0 2 383.857 3.895 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408817918 528641132 /nfs/dbraw/zinc/64/11/32/528641132.db2.gz WOXIKJLMKFJHHA-CPNJWEJPSA-N 0 2 378.428 3.759 40 10 GHCBLN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000209584859 856566317 /nfs/dbraw/zinc/56/63/17/856566317.db2.gz PZIOMVPYZSVPFI-RVDMUPIBSA-N 0 2 384.819 3.714 40 10 GHCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000408912234 231129704 /nfs/dbraw/zinc/12/97/04/231129704.db2.gz QBSKWICBZUVDSZ-RIYZIHGNSA-N 0 2 378.281 3.511 40 10 GHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1C(C)(C)C ZINC000408963145 231136016 /nfs/dbraw/zinc/13/60/16/231136016.db2.gz AHCYUWAWPUSTAH-LDADJPATSA-N 0 2 379.460 3.835 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1Cl ZINC000408984566 231141830 /nfs/dbraw/zinc/14/18/30/231141830.db2.gz JAFLYCOYMANHBT-QPEQYQDCSA-N 0 2 391.210 3.674 40 10 GHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000409244779 231186936 /nfs/dbraw/zinc/18/69/36/231186936.db2.gz IPTMLUCQUIEHAO-NTEUORMPSA-N 0 2 379.803 3.796 40 10 GHCBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000005754036 204149966 /nfs/dbraw/zinc/14/99/66/204149966.db2.gz VCOKSRVCAIJYKL-LICLKQGHSA-N 0 2 393.399 3.693 40 10 GHCBLN COc1ccc(OC)c(N=C(C)C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000112124338 532966252 /nfs/dbraw/zinc/96/62/52/532966252.db2.gz RSJLHAZDGTWURE-UNOMPAQXSA-N 0 2 396.403 3.721 40 10 GHCBLN COc1ccc(OC)c(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000112124338 532966257 /nfs/dbraw/zinc/96/62/57/532966257.db2.gz RSJLHAZDGTWURE-UNOMPAQXSA-N 0 2 396.403 3.721 40 10 GHCBLN CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 ZINC000408867389 528289111 /nfs/dbraw/zinc/28/91/11/528289111.db2.gz KQKJQRSKJAWOOG-WOJGMQOQSA-N 0 2 398.846 3.968 40 10 GHCBLN COCCn1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000059087187 570649400 /nfs/dbraw/zinc/64/94/00/570649400.db2.gz AUCAKQVGNQMITQ-LDADJPATSA-N 0 2 381.432 3.566 40 10 GHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000059138517 570650651 /nfs/dbraw/zinc/65/06/51/570650651.db2.gz RHAOKWSEXNRGMN-GHRIWEEISA-N 0 2 395.415 3.785 40 10 GHCBLN COC(=O)c1ccccc1N=C(C)C1C(C)=NN(c2ccc(OC)cc2)C1=O ZINC000013173973 570749864 /nfs/dbraw/zinc/74/98/64/570749864.db2.gz SYCCLQDFQXHPLK-CPNJWEJPSA-N 0 2 379.416 3.590 40 10 GHCBLN COC(=O)c1ccccc1N=C(C)c1c(C)[nH]n(-c2ccc(OC)cc2)c1=O ZINC000013173973 570749865 /nfs/dbraw/zinc/74/98/65/570749865.db2.gz SYCCLQDFQXHPLK-CPNJWEJPSA-N 0 2 379.416 3.590 40 10 GHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)c(OC)c1 ZINC000038173695 856551951 /nfs/dbraw/zinc/55/19/51/856551951.db2.gz HCGHAWJDDMHABF-OQLLNIDSSA-N 0 2 396.399 3.533 40 10 GHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(Cl)cc2Cl)C1=O ZINC000408534505 534821691 /nfs/dbraw/zinc/82/16/91/534821691.db2.gz VUJFEXWKIFOODX-FMIVXFBMSA-N 0 2 390.226 3.881 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2c(O)ccc3ccccc32)C1=O ZINC000408888352 529586735 /nfs/dbraw/zinc/58/67/35/529586735.db2.gz UPXPUFCNTVGVPI-AQTBWJFISA-N 0 2 386.407 3.774 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)cc(OC)c3)C2=O)cc1 ZINC000408875521 529662209 /nfs/dbraw/zinc/66/22/09/529662209.db2.gz JQFCMDUIHAWZMB-LICLKQGHSA-N 0 2 384.819 3.577 40 10 GHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(F)cc2)C1=O ZINC000100992343 136189298 /nfs/dbraw/zinc/18/92/98/136189298.db2.gz CPSDRLDGLVEPOO-AQTBWJFISA-N 0 2 389.386 3.591 40 10 GHCBLN CC(Nc1cc([N+](=O)[O-])ccc1C)=C1C(C)=NN(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000112123620 527540586 /nfs/dbraw/zinc/54/05/86/527540586.db2.gz YHQGTNNNQDOYIL-PDGQHHTCSA-N 0 2 395.375 3.920 40 10 GHCBLN CC(=Nc1cc([N+](=O)[O-])ccc1C)c1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000112123620 527540588 /nfs/dbraw/zinc/54/05/88/527540588.db2.gz YHQGTNNNQDOYIL-PDGQHHTCSA-N 0 2 395.375 3.920 40 10 GHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408803891 528131098 /nfs/dbraw/zinc/13/10/98/528131098.db2.gz ULEKGAUXMKUSIX-XNTDXEJSSA-N 0 2 384.819 3.794 40 10 GHCBLN COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000001192707 570256990 /nfs/dbraw/zinc/25/69/90/570256990.db2.gz NDVDCAQGOMRTMP-CPNJWEJPSA-N 0 2 386.407 3.823 40 10 GHCBLN CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408849970 528142233 /nfs/dbraw/zinc/14/22/33/528142233.db2.gz BXKKXKNVCYYXRO-WOJGMQOQSA-N 0 2 382.391 3.527 40 10 GHCBLN CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408810258 528164728 /nfs/dbraw/zinc/16/47/28/528164728.db2.gz PEOFGLFYLWVKNG-LFIBNONCSA-N 0 2 384.819 3.794 40 10 GHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000014133126 570824400 /nfs/dbraw/zinc/82/44/00/570824400.db2.gz LVCLATWSRQAEOD-XDJHFCHBSA-N 0 2 389.455 3.652 40 10 GHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3Br)C2=O)c1 ZINC000004471732 206215345 /nfs/dbraw/zinc/21/53/45/206215345.db2.gz PNDRXYBXQGFGIG-GDNBJRDFSA-N 0 2 399.244 3.732 40 10 GHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408804251 528131129 /nfs/dbraw/zinc/13/11/29/528131129.db2.gz DUANNCXEAYQXBB-RVDMUPIBSA-N 0 2 384.819 3.794 40 10 GHCBLN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408878008 528469834 /nfs/dbraw/zinc/46/98/34/528469834.db2.gz ZZRXTZGONKNRCI-RAXLEYEMSA-N 0 2 388.782 3.544 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408803255 528641365 /nfs/dbraw/zinc/64/13/65/528641365.db2.gz MZGLHSNVSAPJPK-QGOAFFKASA-N 0 2 378.428 3.759 40 10 GHCBLN CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)c1 ZINC000059104676 570649631 /nfs/dbraw/zinc/64/96/31/570649631.db2.gz OSOCPILNFJDECC-RVDMUPIBSA-N 0 2 396.399 3.696 40 10 GHCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1O ZINC000059198315 570651675 /nfs/dbraw/zinc/65/16/75/570651675.db2.gz MXEQVAJGOGOBFI-MDWZMJQESA-N 0 2 387.189 3.661 40 10 GHCBLN O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000016399236 570924202 /nfs/dbraw/zinc/92/42/02/570924202.db2.gz KZUJNSKDDIVGCE-XFFZJAGNSA-N 0 2 395.249 3.713 40 10 GHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)cc1 ZINC000038176866 856551833 /nfs/dbraw/zinc/55/18/33/856551833.db2.gz DPYRUDUPRRTVQG-GZTJUZNOSA-N 0 2 380.400 3.914 40 10 GHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl ZINC000408806203 231116245 /nfs/dbraw/zinc/11/62/45/231116245.db2.gz MDWNRVHTDQLRCX-NTEUORMPSA-N 0 2 384.819 3.632 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408807384 528369673 /nfs/dbraw/zinc/36/96/73/528369673.db2.gz CFMARHIEJKTZQI-MHWRWJLKSA-N 0 2 384.819 3.714 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408935102 570686912 /nfs/dbraw/zinc/68/69/12/570686912.db2.gz GRVFTCZLMZXQFD-AQTBWJFISA-N 0 2 378.428 3.759 40 10 GHCBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc2n1C ZINC000408828101 231119880 /nfs/dbraw/zinc/11/98/80/231119880.db2.gz VSBGYDPQAIRDGX-XDHOZWIPSA-N 0 2 387.439 3.770 40 10 GHCBLN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408959585 231135194 /nfs/dbraw/zinc/13/51/94/231135194.db2.gz BLMDIJIUFVDQHN-XMHGGMMESA-N 0 2 389.455 3.570 40 10 GHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O ZINC000409247628 231187261 /nfs/dbraw/zinc/18/72/61/231187261.db2.gz DWXGCNHTKFJXRM-GHRIWEEISA-N 0 2 394.427 3.539 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408811033 528640590 /nfs/dbraw/zinc/64/05/90/528640590.db2.gz NGOFVQAZWVWETC-SFQUDFHCSA-N 0 2 384.819 3.795 40 10 GHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 ZINC000059426647 570656940 /nfs/dbraw/zinc/65/69/40/570656940.db2.gz JXYWFCPOWIBUGW-OQLLNIDSSA-N 0 2 399.790 3.531 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1C ZINC000408860026 231122715 /nfs/dbraw/zinc/12/27/15/231122715.db2.gz XGGMVYKTDDPHFH-RGEXLXHISA-N 0 2 389.455 3.570 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408805494 529662097 /nfs/dbraw/zinc/66/20/97/529662097.db2.gz KSPYHSOVFSERHX-QGOAFFKASA-N 0 2 378.428 3.703 40 10 GHCBLN Cc1c(Cl)c(O)c(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005921439 204156931 /nfs/dbraw/zinc/15/69/31/204156931.db2.gz AONPOSRFIGVAIM-UHFFFAOYSA-N 0 2 377.205 3.716 40 10 GHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408740309 533997549 /nfs/dbraw/zinc/99/75/49/533997549.db2.gz JYGOFRCTYDXLSB-MDWZMJQESA-N 0 2 391.210 3.668 40 10 GHCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3ccc(OC)cc3OC)c2=O)cc1 ZINC000112121234 534021119 /nfs/dbraw/zinc/02/11/19/534021119.db2.gz FGSKHXVVCJJVQG-MOSHPQCFSA-N 0 2 381.432 3.821 40 10 GHCBLN O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccco1 ZINC000408942633 534784726 /nfs/dbraw/zinc/78/47/26/534784726.db2.gz ZUGAQHSJAJKXKE-YFHOEESVSA-N 0 2 384.697 3.618 40 10 GHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408914544 529382735 /nfs/dbraw/zinc/38/27/35/529382735.db2.gz YJQGZSJTJVWHIR-VBEHJTROSA-N 0 2 382.391 3.669 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1C ZINC000408806384 231116237 /nfs/dbraw/zinc/11/62/37/231116237.db2.gz MVUJCRGJKNUCAU-LDADJPATSA-N 0 2 378.428 3.757 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc(Br)c2)C1=O ZINC000408871273 529586680 /nfs/dbraw/zinc/58/66/80/529586680.db2.gz ZADKLZYRMLGMLG-PTNGSMBKSA-N 0 2 399.244 3.678 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000408981259 529662318 /nfs/dbraw/zinc/66/23/18/529662318.db2.gz ABFBXBDGMITCJL-WJDWOHSUSA-N 0 2 388.345 3.934 40 10 GHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000005794877 204151891 /nfs/dbraw/zinc/15/18/91/204151891.db2.gz FFDCUWZLVLGEAV-DTQAZKPQSA-N 0 2 397.862 3.853 40 10 GHCBLN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038934374 205040254 /nfs/dbraw/zinc/04/02/54/205040254.db2.gz WJGKGSMSRIJCAT-UHFFFAOYSA-N 0 2 382.397 3.627 40 10 GHCBLN O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000223643383 206004930 /nfs/dbraw/zinc/00/49/30/206004930.db2.gz LANAFBKTVFHWOW-UHFFFAOYSA-N 0 2 382.397 3.627 40 10 GHCBLN COc1ccc(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl ZINC000408530121 533993986 /nfs/dbraw/zinc/99/39/86/533993986.db2.gz ISUJAGGHVYROSR-GXDHUFHOSA-N 0 2 399.834 3.544 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O ZINC000408888390 534146257 /nfs/dbraw/zinc/14/62/57/534146257.db2.gz ZMEHVSFEQDKBRG-WUXMJOGZSA-N 0 2 391.210 3.674 40 10 GHCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000001192635 570256942 /nfs/dbraw/zinc/25/69/42/570256942.db2.gz QZANPHGZCVRPOS-QGOAFFKASA-N 0 2 395.846 3.607 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408773397 570682679 /nfs/dbraw/zinc/68/26/79/570682679.db2.gz IMUQNXAQHWSVFC-JYRVWZFOSA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1ccc(-c2csc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000031903717 852793813 /nfs/dbraw/zinc/79/38/13/852793813.db2.gz LRTUMLPHLBYCSW-UHFFFAOYSA-N 0 2 375.431 3.828 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(F)c(Cl)c2)C1=O ZINC000408527685 529586101 /nfs/dbraw/zinc/58/61/01/529586101.db2.gz GFCVHJRKMPSVLV-JLHYYAGUSA-N 0 2 387.798 3.620 40 10 GHCBLN COc1ccc(-c2c3cc(O)c(O)cc3oc3cc(=O)c(O)cc2-3)cc1OC ZINC000004894301 204086776 /nfs/dbraw/zinc/08/67/76/204086776.db2.gz JFNMTDANKVJQIM-UHFFFAOYSA-N 0 2 380.352 3.699 40 10 GHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408803101 533833271 /nfs/dbraw/zinc/83/32/71/533833271.db2.gz LGHWJDTWFGVVPS-XNTDXEJSSA-N 0 2 384.819 3.632 40 10 GHCBLN CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408867545 528288828 /nfs/dbraw/zinc/28/88/28/528288828.db2.gz LLTIPMNECDKYCX-LICLKQGHSA-N 0 2 384.819 3.714 40 10 GHCBLN CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408810633 528692384 /nfs/dbraw/zinc/69/23/84/528692384.db2.gz PPHAUOXFASAGLE-FOWTUZBSSA-N 0 2 384.819 3.795 40 10 GHCBLN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408913161 529197334 /nfs/dbraw/zinc/19/73/34/529197334.db2.gz SVOUARLHFGFVKL-HNEYUBDGSA-N 0 2 382.391 3.669 40 10 GHCBLN COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000223694426 570479253 /nfs/dbraw/zinc/47/92/53/570479253.db2.gz ZOAMRVSMDXQTFS-UHFFFAOYSA-N 0 2 385.416 3.866 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c(C)c1 ZINC000408813836 231117884 /nfs/dbraw/zinc/11/78/84/231117884.db2.gz YQNKMHDICWHPQI-LDADJPATSA-N 0 2 378.428 3.757 40 10 GHCBLN CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000408988422 231141857 /nfs/dbraw/zinc/14/18/57/231141857.db2.gz HXOOBPQQLCLKMG-GDNBJRDFSA-N 0 2 384.819 3.714 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)cc2)C1=O ZINC000408960646 529586426 /nfs/dbraw/zinc/58/64/26/529586426.db2.gz NKWPOQPIJLPZBQ-XDJHFCHBSA-N 0 2 389.455 3.516 40 10 GHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408870663 533945197 /nfs/dbraw/zinc/94/51/97/533945197.db2.gz UEUUHKUCIUCIMW-OVCLIPMQSA-N 0 2 391.210 3.668 40 10 GHCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000409070856 533951792 /nfs/dbraw/zinc/95/17/92/533951792.db2.gz PDGSHUYGBCTGDM-PKNBQFBNSA-N 0 2 391.210 3.668 40 10 GHCBLN CCOC(=O)c1ccc(N=C(C)c2c(C)[nH]n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000112123343 528225253 /nfs/dbraw/zinc/22/52/53/528225253.db2.gz GIRWSXZMAIOBPI-ZHZULCJRSA-N 0 2 393.443 3.981 40 10 GHCBLN CCOc1ccccc1NC(C)=C1C(=O)N(c2ccccc2)N=C1CC(=O)OC ZINC000112123331 231022106 /nfs/dbraw/zinc/02/21/06/231022106.db2.gz PQICHWCUKMIYDY-QNGOZBTKSA-N 0 2 393.443 3.737 40 10 GHCBLN CCOc1ccccc1N=C(C)c1c(CC(=O)OC)[nH]n(-c2ccccc2)c1=O ZINC000112123331 231022110 /nfs/dbraw/zinc/02/21/10/231022110.db2.gz PQICHWCUKMIYDY-QNGOZBTKSA-N 0 2 393.443 3.737 40 10 GHCBLN CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c[nH]n2c1nc1ccccc1c2=O ZINC000016312072 204594115 /nfs/dbraw/zinc/59/41/15/204594115.db2.gz URJWUMMGCDBOKQ-YBFXNURJSA-N 0 2 397.438 3.599 40 10 GHCBLN Cc1ccccc1-n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408967577 534793546 /nfs/dbraw/zinc/79/35/46/534793546.db2.gz VWLLUVCXQVFEMK-QGOAFFKASA-N 0 2 389.386 3.591 40 10 GHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1 ZINC000059138519 570650573 /nfs/dbraw/zinc/65/05/73/570650573.db2.gz PBQHOAIVVHOPGB-GHRIWEEISA-N 0 2 395.415 3.785 40 10 GHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408903048 529382800 /nfs/dbraw/zinc/38/28/00/529382800.db2.gz OJZATTZFXAGKTI-RNEAKCBISA-N 0 2 382.391 3.669 40 10 GHCBLN CC(=O)N(c1cccc(C)c1)c1c(O)cc(O)c2c1C(=O)c1ccccc1C2=O ZINC000015085923 205357745 /nfs/dbraw/zinc/35/77/45/205357745.db2.gz XJTZSYKWZHMIJO-UHFFFAOYSA-N 0 2 387.391 3.866 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000041108864 206195130 /nfs/dbraw/zinc/19/51/30/206195130.db2.gz JKRRMZUHYKSPTO-WJDWOHSUSA-N 0 2 380.400 3.773 40 10 GHCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1O ZINC000059198139 570651631 /nfs/dbraw/zinc/65/16/31/570651631.db2.gz VDNSEFMTZSVLPO-UKTHLTGXSA-N 0 2 387.189 3.661 40 10 GHCBLN CC[C@H](C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Cl ZINC000015013734 570871754 /nfs/dbraw/zinc/87/17/54/570871754.db2.gz ATNCNVASFPJZIE-ZENNRRHLSA-N 0 2 399.834 3.579 40 10 GHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCCC3)o2)C1=O ZINC000409235094 231185291 /nfs/dbraw/zinc/18/52/91/231185291.db2.gz NUMGGCHNAPRXAL-SDNWHVSQSA-N 0 2 399.834 3.508 40 10 GHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(C)n1C1CCCCC1 ZINC000409390588 231199102 /nfs/dbraw/zinc/19/91/02/231199102.db2.gz FZSTVBDZMKZZOB-CPNJWEJPSA-N 0 2 392.459 3.672 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccccc2)C1=O ZINC000408847894 529586503 /nfs/dbraw/zinc/58/65/03/529586503.db2.gz WOZHMPYQZLGSQB-XDJHFCHBSA-N 0 2 385.423 3.706 40 10 GHCBLN COc1ccc(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c(OC)c1 ZINC000112124247 533987478 /nfs/dbraw/zinc/98/74/78/533987478.db2.gz VZKVGWILDBNGTL-UNOMPAQXSA-N 0 2 396.403 3.721 40 10 GHCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408801664 528244696 /nfs/dbraw/zinc/24/46/96/528244696.db2.gz VDTHCOWOVRYQTA-LFIBNONCSA-N 0 2 384.819 3.794 40 10 GHCBLN COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2ccc(Cl)cc2)N=C1C ZINC000100296116 208374746 /nfs/dbraw/zinc/37/47/46/208374746.db2.gz JVVHPNKRXXLKBZ-XNTDXEJSSA-N 0 2 386.795 3.975 40 10 GHCBLN COc1cc(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000034138242 208996949 /nfs/dbraw/zinc/99/69/49/208996949.db2.gz NGHWYJPHWGOZDV-RIYZIHGNSA-N 0 2 386.791 3.869 40 10 GHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000408801076 528482352 /nfs/dbraw/zinc/48/23/52/528482352.db2.gz SLSRDDJYUGGFGO-CPNJWEJPSA-N 0 2 394.427 3.539 40 10 GHCBLN CCCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408877209 528768034 /nfs/dbraw/zinc/76/80/34/528768034.db2.gz UHNXJEHZGXGRHA-VKAVYKQESA-N 0 2 378.428 3.704 40 10 GHCBLN CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408903654 529197483 /nfs/dbraw/zinc/19/74/83/529197483.db2.gz VKWHDNCWBDJNAF-VLURKWGBSA-N 0 2 382.391 3.669 40 10 GHCBLN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Br)c2)cc1 ZINC000226863259 570462021 /nfs/dbraw/zinc/46/20/21/570462021.db2.gz GAFVYGQQPHYGAX-UHFFFAOYSA-N 0 2 392.658 3.618 40 10 GHCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C(C)C ZINC000408966741 231137629 /nfs/dbraw/zinc/13/76/29/231137629.db2.gz QFSRQHNUOPBNGI-YBFXNURJSA-N 0 2 379.460 3.969 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1cccc2ccccc21 ZINC000100986887 136189361 /nfs/dbraw/zinc/18/93/61/136189361.db2.gz DCVQUJDEAZFDOG-ATVHPVEESA-N 0 2 375.359 3.558 40 10 GHCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408808946 533952939 /nfs/dbraw/zinc/95/29/39/533952939.db2.gz GNSDJXGRCDCUNW-XYOKQWHBSA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000408966246 534568889 /nfs/dbraw/zinc/56/88/89/534568889.db2.gz ODPIOHRXEIKAIM-CPNJWEJPSA-N 0 2 389.386 3.591 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2c(C)n(C)c3ccccc23)C1=O ZINC000059679079 570660908 /nfs/dbraw/zinc/66/09/08/570660908.db2.gz DXZPGNIVALOPSG-AQTBWJFISA-N 0 2 387.439 3.716 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409010949 570693586 /nfs/dbraw/zinc/69/35/86/570693586.db2.gz DXYFCIBFMSDTEY-SFQUDFHCSA-N 0 2 376.343 3.752 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1C ZINC000408851002 231121533 /nfs/dbraw/zinc/12/15/33/231121533.db2.gz UEJUGTNBLKVTJB-MHWRWJLKSA-N 0 2 399.244 3.732 40 10 GHCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C ZINC000409234035 231184714 /nfs/dbraw/zinc/18/47/14/231184714.db2.gz XZASXKGUSFRUGQ-XNTDXEJSSA-N 0 2 385.851 3.753 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408942646 528731030 /nfs/dbraw/zinc/73/10/30/528731030.db2.gz ZVJDQPVDRORMAY-QINSGFPZSA-N 0 2 384.819 3.795 40 10 GHCBLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000223273802 570455220 /nfs/dbraw/zinc/45/52/20/570455220.db2.gz MWQJVWPRTTZZMW-UHFFFAOYSA-N 0 2 387.486 3.594 40 10 GHCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2-c2ccccc2F)C1=O ZINC000009265422 570554234 /nfs/dbraw/zinc/55/42/34/570554234.db2.gz PMUWPISDPFNBDI-SSZFMOIBSA-N 0 2 389.386 3.591 40 10 GHCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408967149 231138081 /nfs/dbraw/zinc/13/80/81/231138081.db2.gz SPIVPEQXUDIXRB-QZRSKMOPSA-N 0 2 376.412 3.535 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000002262809 136196431 /nfs/dbraw/zinc/19/64/31/136196431.db2.gz REUFEZWBAIAODS-GZTJUZNOSA-N 0 2 394.333 3.891 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1C ZINC000005571044 570446777 /nfs/dbraw/zinc/44/67/77/570446777.db2.gz VWKMNDITVHCTMB-ZHZULCJRSA-N 0 2 385.423 3.761 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1O ZINC000083327281 570629042 /nfs/dbraw/zinc/62/90/42/570629042.db2.gz GBKQFELQILHTFL-UKTHLTGXSA-N 0 2 387.189 3.661 40 10 GHCBLN COc1cc([N+](=O)[O-])ccc1N=CC1C(=O)N(c2cccc(Cl)c2)N=C1C ZINC000013575915 570759676 /nfs/dbraw/zinc/75/96/76/570759676.db2.gz YIOJYQDWEVBMMC-GDNBJRDFSA-N 0 2 386.795 3.975 40 10 GHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408885755 231124938 /nfs/dbraw/zinc/12/49/38/231124938.db2.gz AFOOBBHOAACCNB-XYOKQWHBSA-N 0 2 391.210 3.674 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000408902047 231126992 /nfs/dbraw/zinc/12/69/92/231126992.db2.gz DXHWWRDDKFYTFU-NTEUORMPSA-N 0 2 378.281 3.511 40 10 GHCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000409393652 231200759 /nfs/dbraw/zinc/20/07/59/231200759.db2.gz RWBVAERJKAKZRT-LFIBNONCSA-N 0 2 393.786 3.661 40 10 GHCBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408964871 534239759 /nfs/dbraw/zinc/23/97/59/534239759.db2.gz SXMUKJFCCYBJNK-CPNJWEJPSA-N 0 2 389.386 3.591 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl ZINC000408786243 528369879 /nfs/dbraw/zinc/36/98/79/528369879.db2.gz MXDQJDKNHCKFRN-XNTDXEJSSA-N 0 2 384.819 3.714 40 10 GHCBLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000063182950 570749942 /nfs/dbraw/zinc/74/99/42/570749942.db2.gz BKQAQDBJLPNCDR-UHFFFAOYSA-N 0 2 392.433 3.537 40 10 GHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)(C)C ZINC000408960529 231136553 /nfs/dbraw/zinc/13/65/53/231136553.db2.gz GNOJQVKKIWGJEN-GZTJUZNOSA-N 0 2 383.423 3.665 40 10 GHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C ZINC000409247358 231187838 /nfs/dbraw/zinc/18/78/38/231187838.db2.gz NFLYXGXBKSMKOB-GXDHUFHOSA-N 0 2 384.819 3.632 40 10 GHCBLN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100929745 208383227 /nfs/dbraw/zinc/38/32/27/208383227.db2.gz VAKGBAJIHLXWCS-GDNBJRDFSA-N 0 2 381.348 3.530 40 10 GHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O ZINC000408815189 533832615 /nfs/dbraw/zinc/83/26/15/533832615.db2.gz PQRWAMOOKZMIQA-XNTDXEJSSA-N 0 2 384.819 3.632 40 10 GHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408873648 533944160 /nfs/dbraw/zinc/94/41/60/533944160.db2.gz ULCPCFGXOVSOCK-RQZCQDPDSA-N 0 2 384.819 3.632 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1Cl ZINC000408787040 528369081 /nfs/dbraw/zinc/36/90/81/528369081.db2.gz ZZOHDWXJMFXKGP-LFIBNONCSA-N 0 2 398.846 3.968 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408807001 528767952 /nfs/dbraw/zinc/76/79/52/528767952.db2.gz CLKOPNZLFNOYRC-NBVRZTHBSA-N 0 2 378.428 3.704 40 10 GHCBLN CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000108047825 843351159 /nfs/dbraw/zinc/35/11/59/843351159.db2.gz TYXGBDPOCBZSQP-LGMDPLHJSA-N 0 2 394.427 3.541 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)cc1C ZINC000408782393 231114556 /nfs/dbraw/zinc/11/45/56/231114556.db2.gz HSTSZAXAHVIUSW-XDHOZWIPSA-N 0 2 386.407 3.829 40 10 GHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c2ccccc12 ZINC000408914164 231130045 /nfs/dbraw/zinc/13/00/45/231130045.db2.gz ODLHFHKFDRUUCZ-WOJGMQOQSA-N 0 2 390.370 3.654 40 10 GHCBLN CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000032193767 207394418 /nfs/dbraw/zinc/39/44/18/207394418.db2.gz XECZFUXVSQMNCW-QLENYVDCSA-N 0 2 378.428 3.839 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408940241 528730852 /nfs/dbraw/zinc/73/08/52/528730852.db2.gz UQKCDMKDSRWRHZ-AQTBWJFISA-N 0 2 378.428 3.759 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408938657 528731011 /nfs/dbraw/zinc/73/10/11/528731011.db2.gz QUXNNZXDMKKXTA-AQTBWJFISA-N 0 2 378.428 3.759 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)c1 ZINC000408933811 570686865 /nfs/dbraw/zinc/68/68/65/570686865.db2.gz BMERRKNZMIJMMN-RGEXLXHISA-N 0 2 394.427 3.541 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000408939354 231134404 /nfs/dbraw/zinc/13/44/04/231134404.db2.gz RVDDHGJPBXJIEI-QNGOZBTKSA-N 0 2 398.418 3.932 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)cc1 ZINC000408983181 529662671 /nfs/dbraw/zinc/66/26/71/529662671.db2.gz FWZOVLFXYVQKEV-WJDWOHSUSA-N 0 2 399.244 3.678 40 10 GHCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000002237349 136196303 /nfs/dbraw/zinc/19/63/03/136196303.db2.gz ZMFKZWBIEWWXEB-GHRIWEEISA-N 0 2 395.415 3.785 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1Cl ZINC000408781153 528369147 /nfs/dbraw/zinc/36/91/47/528369147.db2.gz AKPUQPUIDKCVBX-RVDMUPIBSA-N 0 2 398.846 3.968 40 10 GHCBLN CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408874060 528470109 /nfs/dbraw/zinc/47/01/09/528470109.db2.gz ZAMSDKUICHTRFN-VBKFSLOCSA-N 0 2 398.846 3.968 40 10 GHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408903047 529191719 /nfs/dbraw/zinc/19/17/19/529191719.db2.gz OJZATTZFXAGKTI-HTMJNSLASA-N 0 2 382.391 3.669 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000408776074 570682270 /nfs/dbraw/zinc/68/22/70/570682270.db2.gz TXWJCSPFTRVSKP-QPEQYQDCSA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1C ZINC000408812822 231117708 /nfs/dbraw/zinc/11/77/08/231117708.db2.gz MKONGGHFJGIKTH-LDADJPATSA-N 0 2 378.428 3.757 40 10 GHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1 ZINC000408899287 231126190 /nfs/dbraw/zinc/12/61/90/231126190.db2.gz OAANFFFRMHAYEZ-LDADJPATSA-N 0 2 378.428 3.757 40 10 GHCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408804374 231116743 /nfs/dbraw/zinc/11/67/43/231116743.db2.gz FBWITYAJNPCVDU-XNTDXEJSSA-N 0 2 384.819 3.714 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(C)c3)C2=O)cc1 ZINC000408962958 231136349 /nfs/dbraw/zinc/13/63/49/231136349.db2.gz LKTZKMINHXFTIY-XSFVSMFZSA-N 0 2 385.423 3.761 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1 ZINC000408880366 529662265 /nfs/dbraw/zinc/66/22/65/529662265.db2.gz JNUHYISBWGGLGY-CPNJWEJPSA-N 0 2 386.407 3.774 40 10 GHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408801880 533832242 /nfs/dbraw/zinc/83/22/42/533832242.db2.gz WIMXXKGMOAHIQJ-XNTDXEJSSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)C[C@@H](C)O3)C1=O ZINC000408710845 534146016 /nfs/dbraw/zinc/14/60/16/534146016.db2.gz PJNCAQODUHJLQF-GFQQVXNGSA-N 0 2 396.830 3.638 40 10 GHCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408808769 528245355 /nfs/dbraw/zinc/24/53/55/528245355.db2.gz FYQYNPMPLPDOFF-MHWRWJLKSA-N 0 2 384.819 3.794 40 10 GHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C ZINC000408776189 570682391 /nfs/dbraw/zinc/68/23/91/570682391.db2.gz NCUSLHRLQHVZSA-NTUHNPAUSA-N 0 2 392.242 3.615 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl ZINC000409203673 231179523 /nfs/dbraw/zinc/17/95/23/231179523.db2.gz XBNNVWWEXUOAMY-XYOKQWHBSA-N 0 2 379.174 3.799 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(C)C)C1=O ZINC000408885355 529586414 /nfs/dbraw/zinc/58/64/14/529586414.db2.gz ZVINOCNHZKWIIH-LGMDPLHJSA-N 0 2 378.428 3.703 40 10 GHCBLN COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccccc1Cl ZINC000112121457 533322381 /nfs/dbraw/zinc/32/23/81/533322381.db2.gz XDXQEEGLIKGPAV-UYRXBGFRSA-N 0 2 383.835 3.992 40 10 GHCBLN COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1Cl ZINC000112121457 533322384 /nfs/dbraw/zinc/32/23/84/533322384.db2.gz XDXQEEGLIKGPAV-UYRXBGFRSA-N 0 2 383.835 3.992 40 10 GHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)c1 ZINC000408882357 533674706 /nfs/dbraw/zinc/67/47/06/533674706.db2.gz QWKBKLQLYOQAOC-LDADJPATSA-N 0 2 386.407 3.829 40 10 GHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408866819 533944244 /nfs/dbraw/zinc/94/42/44/533944244.db2.gz JFXINJBPCSEOLF-CXUHLZMHSA-N 0 2 384.819 3.632 40 10 GHCBLN CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013374816 560215441 /nfs/dbraw/zinc/21/54/41/560215441.db2.gz RNOYIZPXILLZCR-HNNXBMFYSA-N 0 2 386.400 3.552 40 10 biogenic,in-vitro GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000059138532 570650743 /nfs/dbraw/zinc/65/07/43/570650743.db2.gz QUFWHEUSCFZFAM-GHRIWEEISA-N 0 2 379.416 3.949 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3C)C2=O)cc1 ZINC000408959852 231134605 /nfs/dbraw/zinc/13/46/05/231134605.db2.gz GXUDIJYQKFULAC-XSFVSMFZSA-N 0 2 389.455 3.570 40 10 GHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408801601 533832419 /nfs/dbraw/zinc/83/24/19/533832419.db2.gz WHMOERHZGZTSJV-MHWRWJLKSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1c(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1C ZINC000004498193 570379313 /nfs/dbraw/zinc/37/93/13/570379313.db2.gz KEYSESGTZPYXQJ-UNOMPAQXSA-N 0 2 387.439 3.770 40 10 GHCBLN COc1ccc(N2N=C(C)C(C(C)=Nc3cccc(OC)c3OC)C2=O)cc1 ZINC000013532733 570757066 /nfs/dbraw/zinc/75/70/66/570757066.db2.gz IOAKHOOONZSUSQ-CPNJWEJPSA-N 0 2 381.432 3.821 40 10 GHCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3cccc(OC)c3OC)c2=O)cc1 ZINC000013532733 570757067 /nfs/dbraw/zinc/75/70/67/570757067.db2.gz IOAKHOOONZSUSQ-CPNJWEJPSA-N 0 2 381.432 3.821 40 10 GHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cccc(Cl)c3)C2=O)c(C)c1 ZINC000408530475 231051674 /nfs/dbraw/zinc/05/16/74/231051674.db2.gz IYNUMCLHHUXRIR-MHWRWJLKSA-N 0 2 383.835 3.844 40 10 GHCBLN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000409089433 528471008 /nfs/dbraw/zinc/47/10/08/528471008.db2.gz NPXBYAAVBQVGGX-OQLLNIDSSA-N 0 2 388.782 3.544 40 10 GHCBLN CC(C)Oc1ccccc1C=C1C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000059104732 570649811 /nfs/dbraw/zinc/64/98/11/570649811.db2.gz KOYSUCAYWDDINU-OQLLNIDSSA-N 0 2 394.383 3.709 40 10 GHCBLN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408913162 529387231 /nfs/dbraw/zinc/38/72/31/529387231.db2.gz SVOUARLHFGFVKL-VVBXCHJUSA-N 0 2 382.391 3.669 40 10 GHCBLN O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(O)ccc2ccccc12 ZINC000408883846 231124781 /nfs/dbraw/zinc/12/47/81/231124781.db2.gz WXUOHIYDXMVUFW-GZTJUZNOSA-N 0 2 392.798 3.865 40 10 GHCBLN CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408873947 528288810 /nfs/dbraw/zinc/28/88/10/528288810.db2.gz XRHNQJUJOIDNDO-MHWRWJLKSA-N 0 2 384.819 3.714 40 10 GHCBLN CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000013546734 570757497 /nfs/dbraw/zinc/75/74/97/570757497.db2.gz CYZMJEXONZUVTE-BOPFTXTBSA-N 0 2 384.819 3.794 40 10 GHCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(F)cc1F ZINC000408530011 231051366 /nfs/dbraw/zinc/05/13/66/231051366.db2.gz IJKJMSAWFMKAQT-RVDMUPIBSA-N 0 2 393.349 3.697 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCCC4)o3)C2=O)cc1 ZINC000408897397 231125700 /nfs/dbraw/zinc/12/57/00/231125700.db2.gz JFBIFXNEIXBTKK-NBVRZTHBSA-N 0 2 393.443 3.635 40 10 GHCBLN Cc1ccccc1-n1cccc1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000015013784 207039976 /nfs/dbraw/zinc/03/99/76/207039976.db2.gz KZJKHYIGLVQHDV-JXAWBTAJSA-N 0 2 385.423 3.761 40 10 GHCBLN COc1cc(C)c(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C ZINC000016267879 207074575 /nfs/dbraw/zinc/07/45/75/207074575.db2.gz TWDGTZQVKSJPAI-WQRHYEAKSA-N 0 2 396.418 3.933 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408891045 534146625 /nfs/dbraw/zinc/14/66/25/534146625.db2.gz KJUHYIGKQLYTIB-NTUHNPAUSA-N 0 2 391.210 3.674 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1Cl ZINC000408991265 570690062 /nfs/dbraw/zinc/69/00/62/570690062.db2.gz ZOVSAQXBXGCVLT-ZSOIEALJSA-N 0 2 375.211 3.968 40 10 GHCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000408867155 528627743 /nfs/dbraw/zinc/62/77/43/528627743.db2.gz JCVAXEDEJXEGOY-RVDMUPIBSA-N 0 2 384.819 3.714 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1C ZINC000408818458 231118562 /nfs/dbraw/zinc/11/85/62/231118562.db2.gz YAEXNEJNVQEGQQ-SFQUDFHCSA-N 0 2 378.428 3.757 40 10 GHCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/C=C/c1ccco1 ZINC000409107536 231162948 /nfs/dbraw/zinc/16/29/48/231162948.db2.gz WRNXYDDWPBLIHB-VFVQNCPYSA-N 0 2 377.183 3.809 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408781216 528369826 /nfs/dbraw/zinc/36/98/26/528369826.db2.gz BBCWSBXUWQUZIW-RIYZIHGNSA-N 0 2 388.782 3.544 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1 ZINC000005897616 570460573 /nfs/dbraw/zinc/46/05/73/570460573.db2.gz HNGBQGUAICMVRK-HKWRFOASSA-N 0 2 389.455 3.652 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000408935991 570686704 /nfs/dbraw/zinc/68/67/04/570686704.db2.gz JKXQWPADNKJLFC-UYRXBGFRSA-N 0 2 378.428 3.759 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1O ZINC000408965819 231137646 /nfs/dbraw/zinc/13/76/46/231137646.db2.gz MIEKMHNSOLRXDH-WUXMJOGZSA-N 0 2 395.173 3.505 40 10 GHCBLN COc1cccc(N=C(C)C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)c1OC ZINC000112124236 533574716 /nfs/dbraw/zinc/57/47/16/533574716.db2.gz YHZPFPXBUSYZII-PDGQHHTCSA-N 0 2 396.403 3.721 40 10 GHCBLN COc1cccc(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c1OC ZINC000112124236 533574719 /nfs/dbraw/zinc/57/47/19/533574719.db2.gz YHZPFPXBUSYZII-PDGQHHTCSA-N 0 2 396.403 3.721 40 10 GHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(F)c(Cl)c3)C2=O)c1 ZINC000408526814 533673505 /nfs/dbraw/zinc/67/35/05/533673505.db2.gz CLURLMWXJZNWJZ-UKTHLTGXSA-N 0 2 387.798 3.675 40 10 GHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(C(F)(F)F)cc3)C2=O)c1 ZINC000408901308 231127224 /nfs/dbraw/zinc/12/72/24/231127224.db2.gz XCTBNVFVTHKHFR-MHWRWJLKSA-N 0 2 388.345 3.989 40 10 GHCBLN CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000408901799 529584603 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COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408868541 533943904 /nfs/dbraw/zinc/94/39/04/533943904.db2.gz OUZLTGOLYWNUNI-CXUHLZMHSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408758221 570799985 /nfs/dbraw/zinc/79/99/85/570799985.db2.gz HQOJSDFPKANHHH-XNTDXEJSSA-N 0 2 399.244 3.732 40 10 GHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000408803055 231115716 /nfs/dbraw/zinc/11/57/16/231115716.db2.gz KTWHRAIIWYKZDT-MDWZMJQESA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(F)cc3)C2=O)cc1 ZINC000408967392 231137842 /nfs/dbraw/zinc/13/78/42/231137842.db2.gz VLELUCCGNMSWPY-CPNJWEJPSA-N 0 2 389.386 3.591 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000005715306 570734526 /nfs/dbraw/zinc/73/45/26/570734526.db2.gz YWQPRGLXVWHPIX-NTUHNPAUSA-N 0 2 379.174 3.799 40 10 GHCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000408782881 231114155 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3.757 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408797782 528767427 /nfs/dbraw/zinc/76/74/27/528767427.db2.gz GZFZLFLLCSXJRB-FOWTUZBSSA-N 0 2 384.819 3.795 40 10 GHCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1C ZINC000408777204 570683789 /nfs/dbraw/zinc/68/37/89/570683789.db2.gz WQTMRNNEHURWMG-NTUHNPAUSA-N 0 2 392.242 3.615 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(C)C)cc3)C2=O)cc1 ZINC000408784876 231114383 /nfs/dbraw/zinc/11/43/83/231114383.db2.gz URTPJMATQKVUDJ-XDHOZWIPSA-N 0 2 378.428 3.696 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)c(Cl)c2)C1=O ZINC000408535168 529586742 /nfs/dbraw/zinc/58/67/42/529586742.db2.gz XVAAGQUWTLURBX-RVDMUPIBSA-N 0 2 383.835 3.790 40 10 GHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OC ZINC000059135266 570650193 /nfs/dbraw/zinc/65/01/93/570650193.db2.gz COEFPQQGVAYVPI-XNTDXEJSSA-N 0 2 384.363 3.740 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@H](C)O4)C2=O)cc1Cl ZINC000408710740 231102662 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GHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000059426655 570656800 /nfs/dbraw/zinc/65/68/00/570656800.db2.gz XKBAIFWKCYCLHO-XSFVSMFZSA-N 0 2 391.471 3.816 40 10 GHCBLN CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000002236582 212062423 /nfs/dbraw/zinc/06/24/23/212062423.db2.gz RVSGHJRMKCMCIP-AUQXIXNCSA-N 0 2 391.471 3.933 40 10 GHCBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1O ZINC000005569764 570446855 /nfs/dbraw/zinc/44/68/55/570446855.db2.gz MNKZNRNUAJMKEY-SDQBBNPISA-N 0 2 383.618 3.814 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2F)o1 ZINC000408601601 231075431 /nfs/dbraw/zinc/07/54/31/231075431.db2.gz KSDABLNBJFZRGY-LFIBNONCSA-N 0 2 394.333 3.891 40 10 GHCBLN CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016157349 210184318 /nfs/dbraw/zinc/18/43/18/210184318.db2.gz YRVNGDOPTRPBPN-AQTBWJFISA-N 0 2 397.862 3.853 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408817796 528640952 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O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000408813896 231117829 /nfs/dbraw/zinc/11/78/29/231117829.db2.gz YWAUAMIRHQFMJN-HMMYKYKNSA-N 0 2 398.418 3.932 40 10 GHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(C(C)C)c2C)C1=O ZINC000409229145 231183582 /nfs/dbraw/zinc/18/35/82/231183582.db2.gz KHTZAHDJYITPLI-SFQUDFHCSA-N 0 2 395.459 3.751 40 10 GHCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O ZINC000408874616 529586455 /nfs/dbraw/zinc/58/64/55/529586455.db2.gz CODVRRVYIRCPOV-AQTBWJFISA-N 0 2 378.428 3.703 40 10 GHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408878716 533944383 /nfs/dbraw/zinc/94/43/83/533944383.db2.gz AMPDHUQYSURLQO-CXUHLZMHSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(Cl)c2)C1=O ZINC000408867282 534145801 /nfs/dbraw/zinc/14/58/01/534145801.db2.gz KHDCDKJFIOQYBW-RIYZIHGNSA-N 0 2 375.211 3.968 40 10 GHCBLN O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1F ZINC000005552691 570445776 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CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408876945 528288679 /nfs/dbraw/zinc/28/86/79/528288679.db2.gz RXDZPRRLPJRDJV-LICLKQGHSA-N 0 2 384.819 3.714 40 10 GHCBLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000196028230 909006127 /nfs/dbraw/zinc/00/61/27/909006127.db2.gz UWSBAGSVUGOFOQ-UHFFFAOYSA-N 0 2 397.452 3.736 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)C[C@@H](C)O4)C2=O)cc1Cl ZINC000408710739 231102646 /nfs/dbraw/zinc/10/26/46/231102646.db2.gz IAEMMOLWTBKECA-GFQQVXNGSA-N 0 2 396.830 3.638 40 10 GHCBLN O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccco1 ZINC000409211874 231181575 /nfs/dbraw/zinc/18/15/75/231181575.db2.gz OLFQFWMNIYBSPU-CPNJWEJPSA-N 0 2 388.379 3.525 40 10 GHCBLN COc1cc(OC)c(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001192754 136196210 /nfs/dbraw/zinc/19/62/10/136196210.db2.gz HZMLTXQOYUIQMT-LFIBNONCSA-N 0 2 396.399 3.528 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000408814618 528640874 /nfs/dbraw/zinc/64/08/74/528640874.db2.gz ZLWNOBLDIGLBAX-XMHGGMMESA-N 0 2 394.427 3.541 40 10 GHCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000408990755 570689755 /nfs/dbraw/zinc/68/97/55/570689755.db2.gz YLQKPAKVOZJJIU-YBEGLDIGSA-N 0 2 384.819 3.714 40 10 GHCBLN O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(F)cccc1Cl ZINC000003038710 862132502 /nfs/dbraw/zinc/13/25/02/862132502.db2.gz MRXBCWUWZORWDQ-WQLSENKSSA-N 0 2 395.615 3.703 40 10 GHCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000408817919 528195876 /nfs/dbraw/zinc/19/58/76/528195876.db2.gz WPBHFHIASBDSFJ-SFQUDFHCSA-N 0 2 394.427 3.539 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408941441 528731377 /nfs/dbraw/zinc/73/13/77/528731377.db2.gz WOXINMONFFTKJO-ATVHPVEESA-N 0 2 384.819 3.795 40 10 GHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000408535903 231053832 /nfs/dbraw/zinc/05/38/32/231053832.db2.gz UNURBJHNMXDIKX-WOJGMQOQSA-N 0 2 377.444 3.808 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3F)C2=O)cc1 ZINC000408963768 231136956 /nfs/dbraw/zinc/13/69/56/231136956.db2.gz PDNXKLDTKVPSNB-GHRIWEEISA-N 0 2 389.386 3.591 40 10 GHCBLN CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000001306513 136196413 /nfs/dbraw/zinc/19/64/13/136196413.db2.gz AEPIAYPXCREJCK-GZTJUZNOSA-N 0 2 397.406 3.884 40 10 GHCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408812256 528131300 /nfs/dbraw/zinc/13/13/00/528131300.db2.gz SABXHKPJFWGTPB-LICLKQGHSA-N 0 2 384.819 3.794 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408806467 528767725 /nfs/dbraw/zinc/76/77/25/528767725.db2.gz DZDOQTRQYLCYSC-GHRIWEEISA-N 0 2 378.428 3.759 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408807500 528768169 /nfs/dbraw/zinc/76/81/69/528768169.db2.gz DARZJFKNTYYCCM-WYMLVPIESA-N 0 2 384.819 3.795 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000100925625 136189383 /nfs/dbraw/zinc/18/93/83/136189383.db2.gz RRYMXVDNEVNWPH-LCYFTJDESA-N 0 2 390.226 3.881 40 10 GHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)cc3)C2=O)cc1 ZINC000408896664 528696810 /nfs/dbraw/zinc/69/68/10/528696810.db2.gz HARCQXSCPHXKSN-RGEXLXHISA-N 0 2 394.427 3.541 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C ZINC000408990341 570689791 /nfs/dbraw/zinc/68/97/91/570689791.db2.gz XBIUBSJVLREGLY-DHDCSXOGSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3ccccc3Cl)C2=O)c(C)c1 ZINC000408532929 231052871 /nfs/dbraw/zinc/05/28/71/231052871.db2.gz NCGJSPJKLWLBIX-GXDHUFHOSA-N 0 2 383.835 3.844 40 10 GHCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408961488 231136245 /nfs/dbraw/zinc/13/62/45/231136245.db2.gz MPPGASYRLHNXPU-GFJWLWTISA-N 0 2 382.803 3.571 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 ZINC000408988824 533240141 /nfs/dbraw/zinc/24/01/41/533240141.db2.gz RRNBEMHVSFPNAD-SXGWCWSVSA-N 0 2 384.819 3.632 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1Cl ZINC000005797506 136196820 /nfs/dbraw/zinc/19/68/20/136196820.db2.gz VOMXDUKVZLWMPV-SXGWCWSVSA-N 0 2 393.830 3.807 40 10 GHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000408819172 533673778 /nfs/dbraw/zinc/67/37/78/533673778.db2.gz YJZFCKHVQLKJQG-LDADJPATSA-N 0 2 378.428 3.757 40 10 GHCBLN CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000409400082 528167690 /nfs/dbraw/zinc/16/76/90/528167690.db2.gz OOQCHKNRLHSPQK-JYRVWZFOSA-N 0 2 377.227 3.854 40 10 GHCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408801749 528244732 /nfs/dbraw/zinc/24/47/32/528244732.db2.gz BKBLCOONAZNUOC-SDNWHVSQSA-N 0 2 384.819 3.794 40 10 GHCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC)C2=O)cc1 ZINC000408900791 528696017 /nfs/dbraw/zinc/69/60/17/528696017.db2.gz VBQXNRGLQCFVTH-JXAWBTAJSA-N 0 2 394.427 3.541 40 10 GHCBLN Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000224370205 570510959 /nfs/dbraw/zinc/51/09/59/570510959.db2.gz XFDRWQAMEPMTSD-UHFFFAOYSA-N 0 2 390.848 3.977 40 10 GHCBLN Cc1nn(C)c(C)c1N=CC1C(=O)N(c2ccc(Br)cc2)N=C1C ZINC000408756127 570545428 /nfs/dbraw/zinc/54/54/28/570545428.db2.gz HRULRIJRLNHNLZ-OQLLNIDSSA-N 0 2 388.269 3.518 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408936510 570687480 /nfs/dbraw/zinc/68/74/80/570687480.db2.gz KRBRSOCGYXVQLK-BOPFTXTBSA-N 0 2 384.819 3.795 40 10 GHCBLN COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000409043912 533422427 /nfs/dbraw/zinc/42/24/27/533422427.db2.gz ABCINPWMDPJPNQ-KPKJPENVSA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000001192716 136196158 /nfs/dbraw/zinc/19/61/58/136196158.db2.gz DUKFVQOOMKTADZ-ANSBUGDOSA-N 0 2 377.356 3.966 40 10 GHCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc3c(c2)C[C@H](C)O3)C1=O ZINC000408710846 534146572 /nfs/dbraw/zinc/14/65/72/534146572.db2.gz PJNCAQODUHJLQF-RGZVIEDOSA-N 0 2 396.830 3.638 40 10 GHCBLN CC1(C)Cc2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000408710865 527771225 /nfs/dbraw/zinc/77/12/25/527771225.db2.gz QTURPIYPGMZFKG-CXUHLZMHSA-N 0 2 396.830 3.720 40 10 GHCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408796041 528369403 /nfs/dbraw/zinc/36/94/03/528369403.db2.gz CTYZNXBRFZNBBT-RVDMUPIBSA-N 0 2 384.819 3.714 40 10 GHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408897442 529191840 /nfs/dbraw/zinc/19/18/40/529191840.db2.gz JHEUIINQPJRVIH-SJPXOZHESA-N 0 2 378.428 3.839 40 10 GHCBLN CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC ZINC000001200331 535658186 /nfs/dbraw/zinc/65/81/86/535658186.db2.gz WTIRMSSTAUJXBI-LFIBNONCSA-N 0 2 380.400 3.909 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(O)c(Br)c1 ZINC000027904382 570444821 /nfs/dbraw/zinc/44/48/21/570444821.db2.gz IUOZDNVNFMBUQU-WQLSENKSSA-N 0 2 387.189 3.661 40 10 GHCBLN COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000016269115 570920093 /nfs/dbraw/zinc/92/00/93/570920093.db2.gz DNQVMWGTQJDOAU-DHDCSXOGSA-N 0 2 395.371 3.727 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(C)C)cc3)C2=O)cc1 ZINC000408981310 529662513 /nfs/dbraw/zinc/66/25/13/529662513.db2.gz APNOOLJFGIARHW-MOSHPQCFSA-N 0 2 392.455 3.950 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408809162 528767962 /nfs/dbraw/zinc/76/79/62/528767962.db2.gz KLKLPXSDYYVQJG-GHRIWEEISA-N 0 2 378.428 3.759 40 10 GHCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)c(O)c(C)c3)C2=O)c1 ZINC000038172793 856551531 /nfs/dbraw/zinc/55/15/31/856551531.db2.gz XAAIWKSAJAWJFY-LICLKQGHSA-N 0 2 380.400 3.914 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(O)ccc2ccccc12 ZINC000408898094 231125862 /nfs/dbraw/zinc/12/58/62/231125862.db2.gz ULTRKDNWCJAZTL-RVDMUPIBSA-N 0 2 392.798 3.865 40 10 GHCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(C)C)C1=O ZINC000409230512 231184787 /nfs/dbraw/zinc/18/47/87/231184787.db2.gz DZLQVDZYVQSKMN-DTQAZKPQSA-N 0 2 394.427 3.539 40 10 GHCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408867045 533945354 /nfs/dbraw/zinc/94/53/54/533945354.db2.gz JAIQXDAPFGJOFI-VIZOYTHASA-N 0 2 391.210 3.668 40 10 GHCBLN Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408966582 534239725 /nfs/dbraw/zinc/23/97/25/534239725.db2.gz PHEKLGCVGSWPJI-XSFVSMFZSA-N 0 2 385.423 3.761 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408805582 528640826 /nfs/dbraw/zinc/64/08/26/528640826.db2.gz GZEDRPDTKJYXOQ-QGOAFFKASA-N 0 2 378.428 3.759 40 10 GHCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccc(Cl)c2)C1=O ZINC000408868809 231123327 /nfs/dbraw/zinc/12/33/27/231123327.db2.gz OXYDKBNMOOSFQK-UKTHLTGXSA-N 0 2 375.211 3.968 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000408961333 529662178 /nfs/dbraw/zinc/66/21/78/529662178.db2.gz RQLRYPXUXIYHNP-HMMYKYKNSA-N 0 2 389.455 3.516 40 10 GHCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Br)C2=O)cc1 ZINC000408984214 529662622 /nfs/dbraw/zinc/66/26/22/529662622.db2.gz IGNBMVKWHADSLS-PTNGSMBKSA-N 0 2 399.244 3.678 40 10 GHCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccc(Br)c3)C2=O)c1 ZINC000408869846 533674918 /nfs/dbraw/zinc/67/49/18/533674918.db2.gz UILXIJOMXOXEKO-XNTDXEJSSA-N 0 2 399.244 3.732 40 10 GHCBLN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408897439 529383009 /nfs/dbraw/zinc/38/30/09/529383009.db2.gz JHEUIINQPJRVIH-DQPIFXJKSA-N 0 2 378.428 3.839 40 10 GHCBLN Cc1c(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc2n1C ZINC000408850317 231122012 /nfs/dbraw/zinc/12/20/12/231122012.db2.gz LFBKWFLJMODNTA-PDGQHHTCSA-N 0 2 387.439 3.770 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000408859127 231122972 /nfs/dbraw/zinc/12/29/72/231122972.db2.gz SYRMYCHKIJVION-RIYZIHGNSA-N 0 2 399.790 3.531 40 10 GHCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)c1 ZINC000409242158 231186582 /nfs/dbraw/zinc/18/65/82/231186582.db2.gz NBJBMLGZMSBBFZ-XNTDXEJSSA-N 0 2 384.819 3.632 40 10 GHCBLN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408803414 528471301 /nfs/dbraw/zinc/47/13/01/528471301.db2.gz OPTFJBYDGIPOTB-SFQUDFHCSA-N 0 2 398.846 3.968 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408990249 570689735 /nfs/dbraw/zinc/68/97/35/570689735.db2.gz WMCUYJPEUUIYMB-ZSOIEALJSA-N 0 2 375.211 3.968 40 10 GHCBLN COc1ccc(N2N=C(C)C(C=Nc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)cc1 ZINC000016267612 570920165 /nfs/dbraw/zinc/92/01/65/570920165.db2.gz MUWFNNTUCWYOIQ-BOPFTXTBSA-N 0 2 380.404 3.939 40 10 GHCBLN Cc1cc(C)c(N2C(=O)NC(=O)C(=CNc3cccc(C)c3C)C2=O)c(C)c1 ZINC000408535650 231054398 /nfs/dbraw/zinc/05/43/98/231054398.db2.gz UCUCXQCYXOGPQL-GZTJUZNOSA-N 0 2 377.444 3.808 40 10 GHCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)c1C ZINC000408891322 231124635 /nfs/dbraw/zinc/12/46/35/231124635.db2.gz OOGASIFRCSEHRN-LDADJPATSA-N 0 2 386.407 3.829 40 10 GHCBLN O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408973771 231138750 /nfs/dbraw/zinc/13/87/50/231138750.db2.gz UYMXFTMUQGRYOU-LCYFTJDESA-N 0 2 377.278 3.649 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl ZINC000408780883 533240756 /nfs/dbraw/zinc/24/07/56/533240756.db2.gz MQBBEPXBUVSRBY-DHDCSXOGSA-N 0 2 384.819 3.632 40 10 GHCBLN CCOc1cc(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1 ZINC000408874334 528288639 /nfs/dbraw/zinc/28/86/39/528288639.db2.gz AFGBOYVMVTWFTA-BOPFTXTBSA-N 0 2 398.846 3.968 40 10 GHCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408804276 528482459 /nfs/dbraw/zinc/48/24/59/528482459.db2.gz WYJKGWVOXWDELK-QGOAFFKASA-N 0 2 394.427 3.539 40 10 GHCBLN CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 ZINC000408875878 528640614 /nfs/dbraw/zinc/64/06/14/528640614.db2.gz LWYVPCNJDYAXNU-JXAWBTAJSA-N 0 2 378.428 3.704 40 10 GHCBLN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408914541 529191859 /nfs/dbraw/zinc/19/18/59/529191859.db2.gz YJQGZSJTJVWHIR-FHXOWUIVSA-N 0 2 382.391 3.669 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1C ZINC000059336681 570655208 /nfs/dbraw/zinc/65/52/08/570655208.db2.gz FXVLSMVSJLSPNX-MHWRWJLKSA-N 0 2 399.244 3.732 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000408901768 231127713 /nfs/dbraw/zinc/12/77/13/231127713.db2.gz ZVRIZPDJEILYLE-HMMYKYKNSA-N 0 2 389.455 3.652 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408987986 231142020 /nfs/dbraw/zinc/14/20/20/231142020.db2.gz QAWAHJDCQMPKKH-AUWJEWJLSA-N 0 2 399.790 3.531 40 10 GHCBLN O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005749356 220896841 /nfs/dbraw/zinc/89/68/41/220896841.db2.gz HYQUAGYUSRYQBT-YHYXMXQVSA-N 0 2 396.161 3.502 40 10 GHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000408899726 528677702 /nfs/dbraw/zinc/67/77/02/528677702.db2.gz QBOLGYZGLCBXGP-RGEXLXHISA-N 0 2 394.427 3.541 40 10 GHCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408807775 528767214 /nfs/dbraw/zinc/76/72/14/528767214.db2.gz OREOSHRTINICOS-LFIBNONCSA-N 0 2 384.819 3.795 40 10 GHCBLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1N ZINC000217686506 570320278 /nfs/dbraw/zinc/32/02/78/570320278.db2.gz IBXYLRDKFZTNBO-UHFFFAOYSA-N 0 2 375.475 3.510 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 ZINC000005756902 570995580 /nfs/dbraw/zinc/99/55/80/570995580.db2.gz KCYKPBLCCQAUDI-ZROIWOOFSA-N 0 2 378.281 3.511 40 10 GHCBLN O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100401391 136196054 /nfs/dbraw/zinc/19/60/54/136196054.db2.gz LRKLZUNILLTGKW-FMIVXFBMSA-N 0 2 376.199 3.572 40 10 GHCBLN CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408741225 528624239 /nfs/dbraw/zinc/62/42/39/528624239.db2.gz ONDMEIZRBLYHFG-RGEXLXHISA-N 0 2 386.407 3.905 40 10 GHCBLN CCCCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC)C2=O)cc1 ZINC000408899349 528677803 /nfs/dbraw/zinc/67/78/03/528677803.db2.gz OPOIKSVKNVOYHY-JXAWBTAJSA-N 0 2 394.427 3.541 40 10 GHCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408772880 570682326 /nfs/dbraw/zinc/68/23/26/570682326.db2.gz IRYZAASMXRJDRQ-XSFVSMFZSA-N 0 2 391.471 3.816 40 10 GHCBLN CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408903653 529387055 /nfs/dbraw/zinc/38/70/55/529387055.db2.gz VKWHDNCWBDJNAF-LVLBFHFTSA-N 0 2 382.391 3.669 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1C ZINC000408851520 231121974 /nfs/dbraw/zinc/12/19/74/231121974.db2.gz CJEBWPUJNCWHQV-OQLLNIDSSA-N 0 2 399.790 3.531 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(O)ccc4ccccc34)C2=O)c(C)c1 ZINC000408897142 231125899 /nfs/dbraw/zinc/12/58/99/231125899.db2.gz WCMMAFLJHHSESS-LDADJPATSA-N 0 2 386.407 3.829 40 10 GHCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3C)C2=O)cc1 ZINC000408966094 231137530 /nfs/dbraw/zinc/13/75/30/231137530.db2.gz MUFNQWXZOYDKMC-XMHGGMMESA-N 0 2 385.423 3.761 40 10 GHCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl ZINC000408781565 533240484 /nfs/dbraw/zinc/24/04/84/533240484.db2.gz BUWKBHWAXGEPKC-DHDCSXOGSA-N 0 2 384.819 3.632 40 10 GHCBLN COc1ccc(N2N=C(C)C(C(C)=Nc3cc(OC)ccc3OC)C2=O)cc1 ZINC000112121154 534021507 /nfs/dbraw/zinc/02/15/07/534021507.db2.gz YFTQSEDFPVAFFG-MOSHPQCFSA-N 0 2 381.432 3.821 40 10 GHCBLN COc1ccc(-n2[nH]c(C)c(C(C)=Nc3cc(OC)ccc3OC)c2=O)cc1 ZINC000112121154 534021516 /nfs/dbraw/zinc/02/15/16/534021516.db2.gz YFTQSEDFPVAFFG-MOSHPQCFSA-N 0 2 381.432 3.821 40 10 GHCBLN CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1C(C)C ZINC000409391498 528239861 /nfs/dbraw/zinc/23/98/61/528239861.db2.gz IHTGSEFKQJOXDT-LDADJPATSA-N 0 2 393.443 3.579 40 10 GHCBLN CCOc1cc(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408872103 528288616 /nfs/dbraw/zinc/28/86/16/528288616.db2.gz KLAYXGRANMGQHR-ZROIWOOFSA-N 0 2 388.782 3.544 40 10 GHCBLN CC[C@H](C)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000032193770 570509998 /nfs/dbraw/zinc/50/99/98/570509998.db2.gz XECZFUXVSQMNCW-LUJRCDHRSA-N 0 2 378.428 3.839 40 10 GHCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408802874 533833343 /nfs/dbraw/zinc/83/33/43/533833343.db2.gz IPPCBDRMKIURRW-RIYZIHGNSA-N 0 2 391.210 3.668 40 10 GHCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000408803558 528640791 /nfs/dbraw/zinc/64/07/91/528640791.db2.gz QLNDQZVDHHASFX-QGOAFFKASA-N 0 2 378.428 3.759 40 10 GHCBLN CCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000032101755 570508498 /nfs/dbraw/zinc/50/84/98/570508498.db2.gz FVPDMQKBGSCKEU-ATVHPVEESA-N 0 2 395.371 3.890 40 10 GHCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059135083 570650222 /nfs/dbraw/zinc/65/02/22/570650222.db2.gz RGFZYUOCBPMZHX-KPKJPENVSA-N 0 2 389.726 3.894 40 10 GHCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 ZINC000408933525 570686809 /nfs/dbraw/zinc/68/68/09/570686809.db2.gz ANDICYGAKIMJQQ-RGEXLXHISA-N 0 2 378.428 3.704 40 10 GHCBLN